1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide

C16H20N2O2S — CID 62020361

IUPAC1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)Cc2ccccc2N)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-7-9-14(10-8-12)13(2)18-21(19,20)11-15-5-3-4-6-16(15)17/h3-10,13,18H,11,17H2,1-2H3
InChIKeyXQLFEMVIHQQXEC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.76
Rot. Bonds5

About 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide

1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide (PubChem CID 62020361) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
PubChem CID62020361
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)Cc2ccccc2N)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-7-9-14(10-8-12)13(2)18-21(19,20)11-15-5-3-4-6-16(15)17/h3-10,13,18H,11,17H2,1-2H3
InChIKeyXQLFEMVIHQQXEC-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 61102579
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
methyl 2-[(2-aminophenyl)methylsulfonylamino]propanoate
CID 62021871
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
CID 113486328
2-[(2-aminophenyl)methylsulfonylamino]-3-methylbutanamide
CID 106343817

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide (CID 62020361) is 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide is Cc1ccc(C(C)NS(=O)(=O)Cc2ccccc2N)cc1.
What is the InChIKey of 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is XQLFEMVIHQQXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-7-9-14(10-8-12)13(2)18-21(19,20)11-15-5-3-4-6-16(15)17/h3-10,13,18H,11,17H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide?
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 62020361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).